ICCAS OpenIR
Geometry and stability of vanadium-sulfide clusters V2S2+ and V3S4+
Wang, SF; Feng, JK; Cui, M; Ge, MF; Sun, CC; Gao, Z; Kong, FA
1999-09-01
Source PublicationCHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
ISSN0251-0790
Volume20Issue:9Pages:1447-1451
AbstractThe possible geometrical structures of V2S2+, V3S4+ clusters were optimized using the methods of ab initio Molecular Orbital Unrestricted or Restricted Hartree-Fock (UHF, RHF) and Density Function Theory (DFT). The corresponding stable geometries and electronic structures were obtained. The calculation may be used to explain the relative experimental results.
KeywordVanadium-sulfide Cluster Geometry Electronic Structure
Indexed BySCI
Language英语
WOS IDWOS:000082562400029
PublisherHIGHER EDUCATION PRESS
Citation statistics
Cited Times:8[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/75174
Collection中国科学院化学研究所
Corresponding AuthorFeng, JK
Affiliation1.Jilin Univ, Inst Theoret Chem, State Key Lab Theoret & Computat Chem, Changchun 130023, Peoples R China
2.Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China
Recommended Citation
GB/T 7714
Wang, SF,Feng, JK,Cui, M,et al. Geometry and stability of vanadium-sulfide clusters V2S2+ and V3S4+[J]. CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,1999,20(9):1447-1451.
APA Wang, SF.,Feng, JK.,Cui, M.,Ge, MF.,Sun, CC.,...&Kong, FA.(1999).Geometry and stability of vanadium-sulfide clusters V2S2+ and V3S4+.CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,20(9),1447-1451.
MLA Wang, SF,et al."Geometry and stability of vanadium-sulfide clusters V2S2+ and V3S4+".CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE 20.9(1999):1447-1451.
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